SCHEMBL23944138

SCHEMBL23944138

COc1cc(CN2CCNCC2)ccc1C1CCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
ATM Q13315 1/20 0.52
MAPK1 P28482 1/20 0.48
CHRM2 P08172 2/20 0.46
CYP1A2 P05177 1/20 0.46
SLC6A4 P31645 1/20 0.46
OPRD1 P41143 1/20 0.46
OPRK1 P41145 1/20 0.46
CXCR4 P61073 3/20 0.46
CHRM1 P11229 1/20 0.46
ADRA2C P18825 1/20 0.46
CCR2 P41597 1/20 0.46
CXCL12 P48061 1/20 0.46
BLM P54132 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
APOBEC3A P31941 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23943567 0.86 MEN1 (0.46) MEN1KMT2AATMMAPK1CHRM2
SCHEMBL23943780 0.82 PDE4B (0.52) MAPK1CHRM2CYP1A2SLC6A4OPRD1
SCHEMBL4324560 0.82 CYP1A2 (0.57) MEN1KMT2AMAPK1CHRM2CYP1A2
SCHEMBL11841171 0.82 CYP1A2 (0.57) MEN1KMT2AMAPK1CHRM2CYP1A2
SCHEMBL29756433 0.82 CYP1A2 (0.57) MEN1KMT2AMAPK1CHRM2CYP1A2
Hydrochloric Acid SCHEMBL10407517 0.80 APOBEC3A (0.58) MEN1KMT2AMAPK1CHRM2CYP1A2
SCHEMBL9397289 0.80 CXCR4 (0.60) MEN1KMT2ACHRM2CYP1A2SLC6A4
SCHEMBL18970191 0.79 ALDH1A1 (0.56) MEN1KMT2ACHRM2CYP1A2SLC6A4
SCHEMBL23943566 0.78 CYP1A2 (0.47) MEN1KMT2AATMCHRM2CYP1A2
SCHEMBL3464158 0.78 MEN1 (0.53) MEN1KMT2AATMCHRM2CYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021208963-A1 BCL-2 INHIBITOR BEIGENE, LTD. (KY) 2021-10-21 WO disclosed